3-(Bromomethyl)tetrahydrofuran

C₅H₉BrOCAS 165253-29-2165.03 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₅H₉BrO
Molar mass: 165.03 g/mol
Exact mass: 163.9837 Da
logP: 1.42Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

165253-29-2

SMILES

C1COCC1CBr

InChIKey

AXQYVOIYCYAVSW-UHFFFAOYSA-N

InChI

InChI=1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2

Weigh it out

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Names and synonyms

1 names

3-(Bromomethyl)oxolane

Work with 3-(Bromomethyl)tetrahydrofuran

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromomethyltetrahydropyran125552-89-870 % similar (3R)-Tetrahydro-3-furanmethanamine1048962-82-850 % similar (3S)-Tetrahydro-3-furanmethanamine1048962-84-050 % similar (S)-Tetrahydrofuran-3-ylm...124391-75-950 % similar Tetrahydro-3-furanmethanol15833-61-150 % similar (Tetrahydrofuran-3-yl)methanamine165253-31-650 % similar 4-(2-Bromoethyl)-tetrahydropyran4677-20-746 % similar (Bromomethyl)cyclopropane7051-34-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Bromomethyl)tetrahydrofuran1192-30-9 1-Bromo-3-methylbutan-2-one19967-55-6 4-Bromotetrahydropyran25637-16-5 3-(Bromomethyl)-3-methyloxetane78385-26-9

Elsewhere

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